SCHEMBL5329285

SCHEMBL5329285

COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)C3c2cccc(O)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
RAB9A P51151 2/20 0.57
USP2 O75604 2/20 0.57
MAPK1 P28482 1/20 0.57
GAA P10253 8/20 0.55
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5331707 0.92 ALDH1A1 (0.58) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5480584 0.91 ALDH1A1 (0.60) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5341434 0.91 GAA (0.67) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5334676 0.90 ALDH1A1 (0.60) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5311910 0.89 ALDH1A1 (0.71) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5340531 0.89 ALDH1A1 (0.58) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5479574 0.89 ALDH1A1 (0.56) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5328210 0.88 ALDH1A1 (0.62) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5332217 0.87 ALDH1A1 (0.64) ALDH1A1RAB9AUSP2MAPK1GAA
SCHEMBL5331487 0.85 ALDH1A1 (0.62) ALDH1A1RAB9AUSP2MAPK1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 ALDH1A1 1488/4885RAB9A 2757/4885USP2 4362/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.